{2-[4-(3,5-dimethylfuran-2-carbonyl)morpholin-2-yl]ethyl}dimethylamine

• ChemBase编号: 693690
• 分子式: C15H24N2O3
• 平均质量: 280.36266
• 单一同位素质量: 280.17869264
• SMILES: c1(C(=O)N2CC(OCC2)CCN(C)C)c(cc(o1)C)C
• Canonical SMILES: CN(CCC1OCCN(C1)C(=O)c1oc(cc1C)C)C
• InChI: InChI=1S/C15H24N2O3/c1-11-9-12(2)20-14(11)15(18)17-7-8-19-13(10-17)5-6-16(3)4/h9,13H,5-8,10H2,1-4H3
• InChIKey: DVZBQBMEEAWLEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[4-(3,5-dimethylfuran-2-carbonyl)morpholin-2-yl]ethyl}dimethylamine
• IUPAC传统名: {2-[4-(3,5-dimethylfuran-2-carbonyl)morpholin-2-yl]ethyl}dimethylamine
• 别名: 2-[4-(3,5-dimethyl-2-furoyl)-2-morpholinyl]-N,N-dimethylethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.2974527
• LogD (pH = 7.4): -0.7703928
• Log P: 0.9643385
• 摩尔折射率: 79.1408 cm^3
• 极化性: 29.80252 Å^3
• 极化表面积: 45.92 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.41
• LOG S: -1.53
• 极化表面积: 45.92 Å^2
• 可自由旋转的化学键: 3